Iobutoic Acid
[CAS# 13445-12-0]

Identification

• Name: Iobutoic Acid
• Synonyms: 4-[2,4,6-Triiodo-3-(Morpholino-Oxomethyl)Phenoxy]Butanoic Acid; 4-[2,4,6-Triiodo-3-(Morpholine-4-Carbonyl)Phenoxy]Butyric Acid; 4-(2,4,6-Triiodo-3-Morpholin-4-Ylcarbonyl-Phenoxy)Butanoic Acid
• Molecular Formula: C₁₅H₁₆I₃NO₅
• Molecular Weight: 671.01
• CAS Registry Number: 13445-12-0
• SMILES: C1=C(C(=C(C(=C1I)OCCCC(O)=O)I)C(N2CCOCC2)=O)I
• InChI: 1S/C15H16I3NO5/c16-9-8-10(17)14(24-5-1-2-11(20)21)13(18)12(9)15(22)19-3-6-23-7-4-19/h8H,1-7H2,(H,20,21)
• InChIKey: AWPDPEBRIXSCQG-UHFFFAOYSA-N

Properties

• Density: 2.237g/cm³ (Cal.)
• Boiling point: 709.817°C at 760 mmHg (Cal.)
• Flash point: 383.084°C (Cal.)